KUT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C9 | doub | 1.21Å | 1.23Å | |
O1 | C9 | sing | 1.34Å | 1.32Å | |
C9 | C8 | sing | 1.51Å | 1.52Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
C7 | C6 | sing | 1.53Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C1 | C | sing | 1.53Å | 1.52Å | |
C | C10 | sing | 1.53Å | 1.52Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
C11 | C12 | sing | 1.53Å | 1.51Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C17 | O2 | doub | 1.21Å | 1.21Å | |
C17 | N | sing | 1.35Å | 1.32Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C22 | N1 | sing | 1.46Å | 1.45Å | |
C23 | O4 | sing | 1.43Å | 1.43Å | |
N1 | C21 | sing | 1.35Å | 1.34Å | |
N | C18 | sing | 1.46Å | 1.47Å | |
C21 | C20 | sing | 1.51Å | 1.51Å | |
C21 | O3 | doub | 1.21Å | 1.23Å | |
C20 | C19 | sing | 1.53Å | 1.53Å | |
O4 | C24 | sing | 1.43Å | 1.43Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | C34 | sing | 1.51Å | 1.52Å | |
C24 | C25 | sing | 1.53Å | 1.52Å | |
C34 | O11 | sing | 1.34Å | 1.34Å | |
C34 | O10 | doub | 1.21Å | 1.22Å | |
C25 | O5 | sing | 1.43Å | 1.43Å | |
O5 | C26 | sing | 1.43Å | 1.43Å | |
C26 | C27 | sing | 1.51Å | 1.51Å | |
O6 | C27 | doub | 1.21Å | 1.22Å | |
C27 | N2 | sing | 1.35Å | 1.34Å | |
N2 | C28 | sing | 1.47Å | 1.45Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C29 | O7 | sing | 1.43Å | 1.43Å | |
O7 | C30 | sing | 1.43Å | 1.43Å | |
O9 | C33 | doub | 1.21Å | 1.22Å | |
C33 | C32 | sing | 1.51Å | 1.51Å | |
C30 | C31 | sing | 1.53Å | 1.53Å | |
O8 | C31 | sing | 1.43Å | 1.43Å | |
O8 | C32 | sing | 1.43Å | 1.43Å | |
C28 | H51 | sing | 1.09Å | 1.10Å | |
C28 | H52 | sing | 1.09Å | 1.10Å | |
C29 | H53 | sing | 1.09Å | 1.10Å | |
C29 | H54 | sing | 1.09Å | 1.10Å | |
C30 | H55 | sing | 1.09Å | 1.10Å | |
C30 | H56 | sing | 1.09Å | 1.10Å | |
C26 | H48 | sing | 1.09Å | 1.10Å | |
C26 | H49 | sing | 1.09Å | 1.10Å | |
C23 | H42 | sing | 1.09Å | 1.10Å | |
C23 | H43 | sing | 1.09Å | 1.10Å | |
C22 | H41 | sing | 1.09Å | 1.10Å | |
C22 | H40 | sing | 1.09Å | 1.10Å | |
C19 | H36 | sing | 1.09Å | 1.10Å | |
C19 | H35 | sing | 1.09Å | 1.10Å | |
C14 | H29 | sing | 1.09Å | 1.10Å | |
C14 | H28 | sing | 1.09Å | 1.10Å | |
C15 | H31 | sing | 1.09Å | 1.10Å | |
C15 | H30 | sing | 1.09Å | 1.10Å | |
C16 | H33 | sing | 1.09Å | 1.10Å | |
C16 | H32 | sing | 1.09Å | 1.10Å | |
C13 | H27 | sing | 1.09Å | 1.10Å | |
C13 | H26 | sing | 1.09Å | 1.10Å | |
C12 | H25 | sing | 1.09Å | 1.10Å | |
C12 | H24 | sing | 1.09Å | 1.10Å | |
C11 | H23 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C6 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H18 | sing | 1.09Å | 1.10Å | |
C8 | H17 | sing | 1.09Å | 1.10Å | |
C7 | H16 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
N | H34 | sing | 0.97Å | 1.00Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C10 | H21 | sing | 1.09Å | 1.10Å | |
C10 | H20 | sing | 1.09Å | 1.10Å | |
C18 | H | sing | 1.09Å | 1.10Å | |
C20 | H38 | sing | 1.09Å | 1.10Å | |
C20 | H37 | sing | 1.09Å | 1.10Å | |
C24 | H44 | sing | 1.09Å | 1.10Å | |
C24 | H45 | sing | 1.09Å | 1.10Å | |
C25 | H46 | sing | 1.09Å | 1.10Å | |
C25 | H47 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C31 | H57 | sing | 1.09Å | 1.10Å | |
C31 | H58 | sing | 1.09Å | 1.10Å | |
C32 | H60 | sing | 1.09Å | 1.10Å | |
C32 | H59 | sing | 1.09Å | 1.10Å | |
C33 | H61 | sing | 1.08Å | 1.08Å | |
N1 | H39 | sing | 0.97Å | 1.00Å | |
N2 | H50 | sing | 0.97Å | 1.00Å | |
O1 | H19 | sing | 0.97Å | 0.95Å | |
O11 | H62 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C9 | O1 | 117.0° | 120.0° |
O | C9 | C8 | 122.6° | 120.0° |
O1 | C9 | C8 | 120.4° | 120.0° |
C9 | O1 | H19 | 109.5° | 117.0° |
C9 | C8 | C7 | 115.7° | 109.5° |
C9 | C8 | H18 | 107.9° | 109.5° |
C9 | C8 | H17 | 107.9° | 109.5° |
C8 | C7 | C6 | 107.0° | 109.5° |
C7 | C8 | H18 | 107.9° | 109.5° |
C7 | C8 | H17 | 107.9° | 109.5° |
C8 | C7 | H16 | 110.1° | 109.4° |
C8 | C7 | H15 | 110.1° | 109.5° |
C7 | C6 | C5 | 117.2° | 109.5° |
C7 | C6 | H14 | 107.5° | 109.4° |
C7 | C6 | H13 | 107.5° | 109.5° |
C6 | C7 | H16 | 110.1° | 109.5° |
C6 | C7 | H15 | 110.1° | 109.5° |
C6 | C5 | C4 | 111.0° | 109.5° |
C5 | C6 | H14 | 107.5° | 109.5° |
C5 | C6 | H13 | 107.5° | 109.5° |
C6 | C5 | H12 | 109.1° | 109.5° |
C6 | C5 | H11 | 109.1° | 109.5° |
C5 | C4 | C3 | 113.7° | 109.5° |
C4 | C5 | H12 | 109.1° | 109.5° |
C4 | C5 | H11 | 109.1° | 109.4° |
C5 | C4 | H10 | 108.4° | 109.5° |
C5 | C4 | H9 | 108.4° | 109.5° |
C4 | C3 | C2 | 112.8° | 109.5° |
C3 | C4 | H10 | 108.4° | 109.4° |
C3 | C4 | H9 | 108.4° | 109.4° |
C4 | C3 | H8 | 108.6° | 109.4° |
C4 | C3 | H7 | 108.7° | 109.4° |
C3 | C2 | C1 | 111.1° | 109.5° |
C3 | C2 | H6 | 109.1° | 109.4° |
C3 | C2 | H5 | 109.0° | 109.5° |
C2 | C3 | H8 | 108.6° | 109.5° |
C2 | C3 | H7 | 108.6° | 109.5° |
C2 | C1 | C | 114.5° | 109.4° |
C1 | C2 | H6 | 109.1° | 109.5° |
C1 | C2 | H5 | 109.1° | 109.5° |
C2 | C1 | H4 | 108.2° | 109.4° |
C2 | C1 | H3 | 108.2° | 109.5° |
C1 | C | C10 | 110.3° | 109.4° |
C | C1 | H4 | 108.2° | 109.5° |
C | C1 | H3 | 108.2° | 109.5° |
C1 | C | H2 | 109.3° | 109.4° |
C1 | C | H1 | 109.3° | 109.5° |
C | C10 | C11 | 111.4° | 109.5° |
C10 | C | H2 | 109.3° | 109.5° |
C10 | C | H1 | 109.3° | 109.5° |
C | C10 | H21 | 109.0° | 109.5° |
C | C10 | H20 | 109.0° | 109.5° |
C10 | C11 | C12 | 110.0° | 109.5° |
C10 | C11 | H23 | 109.3° | 109.5° |
C10 | C11 | H22 | 109.3° | 109.5° |
C11 | C10 | H21 | 109.0° | 109.5° |
C11 | C10 | H20 | 109.0° | 109.5° |
C11 | C12 | C13 | 112.5° | 109.5° |
C11 | C12 | H25 | 108.7° | 109.5° |
C11 | C12 | H24 | 108.7° | 109.5° |
C12 | C11 | H23 | 109.3° | 109.4° |
C12 | C11 | H22 | 109.3° | 109.4° |
C12 | C13 | C14 | 113.1° | 109.5° |
C12 | C13 | H27 | 108.6° | 109.5° |
C12 | C13 | H26 | 108.5° | 109.5° |
C13 | C12 | H25 | 108.7° | 109.5° |
C13 | C12 | H24 | 108.7° | 109.4° |
C13 | C14 | C15 | 111.6° | 109.5° |
C13 | C14 | H29 | 108.9° | 109.4° |
C13 | C14 | H28 | 108.9° | 109.5° |
C14 | C13 | H27 | 108.6° | 109.4° |
C14 | C13 | H26 | 108.6° | 109.4° |
C14 | C15 | C16 | 109.0° | 109.5° |
C15 | C14 | H29 | 109.0° | 109.4° |
C15 | C14 | H28 | 108.9° | 109.5° |
C14 | C15 | H31 | 109.6° | 109.5° |
C14 | C15 | H30 | 109.6° | 109.5° |
C15 | C16 | C17 | 114.5° | 109.4° |
C16 | C15 | H31 | 109.6° | 109.5° |
C16 | C15 | H30 | 109.6° | 109.5° |
C15 | C16 | H33 | 108.2° | 109.5° |
C15 | C16 | H32 | 108.2° | 109.4° |
C16 | C17 | O2 | 119.5° | 120.0° |
C16 | C17 | N | 114.5° | 120.0° |
C17 | C16 | H33 | 108.2° | 109.5° |
C17 | C16 | H32 | 108.2° | 109.5° |
O2 | C17 | N | 125.8° | 120.0° |
C17 | N | C18 | 130.0° | 120.0° |
C17 | N | H34 | 115.0° | 120.0° |
C23 | C22 | N1 | 111.6° | 109.4° |
C22 | C23 | O4 | 109.7° | 109.5° |
C22 | C23 | H42 | 109.4° | 109.4° |
C22 | C23 | H43 | 109.4° | 109.5° |
C23 | C22 | H41 | 108.9° | 109.5° |
C23 | C22 | H40 | 108.9° | 109.5° |
C22 | N1 | C21 | 121.5° | 120.0° |
N1 | C22 | H41 | 108.9° | 109.5° |
N1 | C22 | H40 | 108.9° | 109.4° |
C22 | N1 | H39 | 119.3° | 120.0° |
C23 | O4 | C24 | 112.6° | 114.0° |
O4 | C23 | H42 | 109.4° | 109.4° |
O4 | C23 | H43 | 109.4° | 109.5° |
N1 | C21 | C20 | 116.3° | 120.0° |
N1 | C21 | O3 | 123.8° | 119.9° |
C21 | N1 | H39 | 119.3° | 120.0° |
N | C18 | C19 | 114.6° | 109.5° |
N | C18 | C34 | 111.1° | 109.5° |
C18 | N | H34 | 115.0° | 120.0° |
N | C18 | H | 106.3° | 109.4° |
C20 | C21 | O3 | 119.9° | 120.1° |
C21 | C20 | C19 | 112.2° | 109.4° |
C21 | C20 | H38 | 108.8° | 109.5° |
C21 | C20 | H37 | 108.8° | 109.4° |
C20 | C19 | C18 | 108.6° | 109.4° |
C20 | C19 | H36 | 109.7° | 109.4° |
C20 | C19 | H35 | 109.7° | 109.5° |
C19 | C20 | H38 | 108.7° | 109.5° |
C19 | C20 | H37 | 108.8° | 109.5° |
O4 | C24 | C25 | 109.6° | 109.5° |
O4 | C24 | H44 | 109.4° | 109.5° |
O4 | C24 | H45 | 109.5° | 109.5° |
C19 | C18 | C34 | 112.7° | 109.5° |
C18 | C19 | H36 | 109.7° | 109.5° |
C18 | C19 | H35 | 109.7° | 109.5° |
C19 | C18 | H | 105.6° | 109.5° |
C18 | C34 | O11 | 120.8° | 120.0° |
C18 | C34 | O10 | 121.1° | 120.0° |
C34 | C18 | H | 105.7° | 109.4° |
C24 | C25 | O5 | 109.6° | 109.5° |
C25 | C24 | H44 | 109.5° | 109.5° |
C25 | C24 | H45 | 109.5° | 109.4° |
C24 | C25 | H46 | 109.4° | 109.5° |
C24 | C25 | H47 | 109.4° | 109.4° |
O11 | C34 | O10 | 118.2° | 120.0° |
C34 | O11 | H62 | 109.5° | 117.0° |
C25 | O5 | C26 | 111.8° | 114.1° |
O5 | C25 | H46 | 109.5° | 109.4° |
O5 | C25 | H47 | 109.4° | 109.5° |
O5 | C26 | C27 | 109.9° | 109.5° |
O5 | C26 | H48 | 109.4° | 109.4° |
O5 | C26 | H49 | 109.3° | 109.5° |
C26 | C27 | O6 | 119.3° | 120.0° |
C26 | C27 | N2 | 118.9° | 120.0° |
C27 | C26 | H48 | 109.4° | 109.5° |
C27 | C26 | H49 | 109.4° | 109.5° |
O6 | C27 | N2 | 121.8° | 120.0° |
C27 | N2 | C28 | 124.3° | 120.0° |
C27 | N2 | H50 | 117.8° | 120.1° |
N2 | C28 | C29 | 111.7° | 109.5° |
N2 | C28 | H51 | 108.9° | 109.5° |
N2 | C28 | H52 | 108.9° | 109.5° |
C28 | N2 | H50 | 117.9° | 119.9° |
C28 | C29 | O7 | 109.1° | 109.5° |
C29 | C28 | H51 | 108.9° | 109.5° |
C29 | C28 | H52 | 108.9° | 109.5° |
C28 | C29 | H53 | 109.6° | 109.5° |
C28 | C29 | H54 | 109.6° | 109.4° |
C29 | O7 | C30 | 113.4° | 114.0° |
O7 | C29 | H53 | 109.6° | 109.5° |
O7 | C29 | H54 | 109.6° | 109.4° |
O7 | C30 | C31 | 110.4° | 109.5° |
O7 | C30 | H55 | 109.2° | 109.5° |
O7 | C30 | H56 | 109.2° | 109.5° |
O9 | C33 | C32 | 117.4° | 120.0° |
O9 | C33 | H61 | 121.3° | 120.0° |
C33 | C32 | O8 | 109.4° | 109.5° |
C33 | C32 | H60 | 109.5° | 109.5° |
C33 | C32 | H59 | 109.5° | 109.5° |
C32 | C33 | H61 | 121.3° | 120.0° |
C30 | C31 | O8 | 110.5° | 109.5° |
C31 | C30 | H55 | 109.2° | 109.5° |
C31 | C30 | H56 | 109.2° | 109.4° |
C30 | C31 | H57 | 109.2° | 109.5° |
C30 | C31 | H58 | 109.2° | 109.5° |
C31 | O8 | C32 | 113.4° | 114.0° |
O8 | C31 | H57 | 109.2° | 109.5° |
O8 | C31 | H58 | 109.2° | 109.5° |
O8 | C32 | H60 | 109.5° | 109.4° |
O8 | C32 | H59 | 109.5° | 109.4° |
H51 | C28 | H52 | 109.5° | 109.4° |
H53 | C29 | H54 | 109.5° | 109.5° |
H55 | C30 | H56 | 109.5° | 109.4° |
H48 | C26 | H49 | 109.5° | 109.5° |
H42 | C23 | H43 | 109.5° | 109.5° |
H41 | C22 | H40 | 109.5° | 109.5° |
H36 | C19 | H35 | 109.5° | 109.5° |
H29 | C14 | H28 | 109.5° | 109.5° |
H31 | C15 | H30 | 109.5° | 109.5° |
H33 | C16 | H32 | 109.4° | 109.5° |
H27 | C13 | H26 | 109.5° | 109.5° |
H25 | C12 | H24 | 109.5° | 109.5° |
H23 | C11 | H22 | 109.5° | 109.4° |
H14 | C6 | H13 | 109.5° | 109.4° |
H12 | C5 | H11 | 109.5° | 109.5° |
H10 | C4 | H9 | 109.5° | 109.5° |
H6 | C2 | H5 | 109.5° | 109.5° |
H4 | C1 | H3 | 109.5° | 109.5° |
H18 | C8 | H17 | 109.5° | 109.4° |
H16 | C7 | H15 | 109.5° | 109.5° |
H2 | C | H1 | 109.5° | 109.5° |
H21 | C10 | H20 | 109.4° | 109.4° |
H38 | C20 | H37 | 109.5° | 109.5° |
H44 | C24 | H45 | 109.5° | 109.4° |
H46 | C25 | H47 | 109.5° | 109.5° |
H8 | C3 | H7 | 109.4° | 109.5° |
H57 | C31 | H58 | 109.5° | 109.4° |
H60 | C32 | H59 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C9 | O1 | C8 | 178.1° | 180.0° |
O | C9 | C8 | C7 | 164.7° | 0.0° |
O | C9 | C8 | H18 | 74.4° | 120.0° |
O | C9 | C8 | H17 | 43.8° | 120.0° |
O | C9 | O1 | H19 | 0.0° | 0.0° |
O1 | C9 | C8 | C7 | 17.3° | 180.0° |
O1 | C9 | C8 | H18 | 103.6° | 60.0° |
O1 | C9 | C8 | H17 | 138.2° | 60.0° |
C9 | C8 | C7 | H18 | 120.9° | 120.0° |
C9 | C8 | C7 | H17 | 120.9° | 120.0° |
C9 | C8 | C7 | C6 | 159.6° | 180.0° |
C9 | C8 | H18 | H17 | 117.2° | 120.0° |
C9 | C8 | C7 | H16 | 80.8° | 60.0° |
C9 | C8 | C7 | H15 | 39.9° | 60.0° |
C8 | C9 | O1 | H19 | 178.1° | 180.0° |
C8 | C7 | C6 | H16 | 119.6° | 120.0° |
C8 | C7 | C6 | H15 | 119.6° | 120.0° |
C8 | C7 | C6 | C5 | 145.9° | 180.0° |
C8 | C7 | C6 | H14 | 92.9° | 60.0° |
C8 | C7 | C6 | H13 | 24.8° | 60.0° |
C7 | C8 | H18 | H17 | 117.2° | 120.0° |
C8 | C7 | H16 | H15 | 121.1° | 120.0° |
C7 | C6 | C5 | H14 | 121.1° | 120.0° |
C7 | C6 | C5 | H13 | 121.1° | 120.0° |
C7 | C6 | C5 | C4 | 175.4° | 180.0° |
C7 | C6 | H14 | H13 | 116.5° | 119.9° |
C7 | C6 | C5 | H12 | 64.3° | 60.0° |
C7 | C6 | C5 | H11 | 55.2° | 60.1° |
C6 | C7 | C8 | H18 | 38.7° | 60.0° |
C6 | C7 | C8 | H17 | 79.5° | 60.0° |
C6 | C7 | H16 | H15 | 121.1° | 120.0° |
C6 | C5 | C4 | H12 | 120.2° | 120.1° |
C6 | C5 | C4 | H11 | 120.2° | 119.9° |
C6 | C5 | C4 | C3 | 177.4° | 180.0° |
C5 | C6 | H14 | H13 | 116.5° | 120.1° |
C6 | C5 | H12 | H11 | 119.3° | 120.0° |
C6 | C5 | C4 | H10 | 62.0° | 60.0° |
C6 | C5 | C4 | H9 | 56.7° | 60.1° |
C5 | C6 | C7 | H16 | 26.3° | 60.0° |
C5 | C6 | C7 | H15 | 94.5° | 59.9° |
C5 | C4 | C3 | H10 | 120.6° | 120.0° |
C5 | C4 | C3 | H9 | 120.6° | 120.0° |
C5 | C4 | C3 | C2 | 152.5° | 180.0° |
C4 | C5 | C6 | H14 | 54.3° | 60.0° |
C4 | C5 | C6 | H13 | 63.5° | 60.0° |
C4 | C5 | H12 | H11 | 119.3° | 119.9° |
C5 | C4 | H10 | H9 | 118.1° | 120.1° |
C5 | C4 | C3 | H8 | 32.0° | 60.0° |
C5 | C4 | C3 | H7 | 87.0° | 60.0° |
C4 | C3 | C2 | H8 | 120.5° | 120.0° |
C4 | C3 | C2 | H7 | 120.5° | 120.0° |
C4 | C3 | C2 | C1 | 150.5° | 180.0° |
C3 | C4 | C5 | H12 | 57.1° | 60.0° |
C3 | C4 | C5 | H11 | 62.4° | 60.0° |
C3 | C4 | H10 | H9 | 118.0° | 120.0° |
C4 | C3 | C2 | H6 | 89.3° | 60.0° |
C4 | C3 | C2 | H5 | 30.2° | 60.0° |
C4 | C3 | H8 | H7 | 118.5° | 120.0° |
C3 | C2 | C1 | H6 | 120.2° | 119.9° |
C3 | C2 | C1 | H5 | 120.2° | 120.0° |
C3 | C2 | C1 | C | 154.2° | 180.0° |
C2 | C3 | C4 | H10 | 86.9° | 60.0° |
C2 | C3 | C4 | H9 | 31.9° | 60.0° |
C3 | C2 | H6 | H5 | 119.2° | 120.0° |
C3 | C2 | C1 | H4 | 85.1° | 60.0° |
C3 | C2 | C1 | H3 | 33.4° | 60.0° |
C2 | C3 | H8 | H7 | 118.5° | 120.1° |
C2 | C1 | C | H4 | 120.7° | 119.9° |
C2 | C1 | C | H3 | 120.7° | 120.0° |
C2 | C1 | C | C10 | 162.1° | 180.0° |
C1 | C2 | H6 | H5 | 119.3° | 120.1° |
C2 | C1 | H4 | H3 | 117.7° | 120.0° |
C2 | C1 | C | H2 | 42.0° | 60.0° |
C2 | C1 | C | H1 | 77.8° | 60.0° |
C1 | C2 | C3 | H8 | 30.0° | 60.0° |
C1 | C2 | C3 | H7 | 89.0° | 60.0° |
C1 | C | C10 | H2 | 120.1° | 119.9° |
C1 | C | C10 | H1 | 120.1° | 120.0° |
C1 | C | C10 | C11 | 174.8° | 180.0° |
C | C1 | C2 | H6 | 33.9° | 60.0° |
C | C1 | C2 | H5 | 85.6° | 60.0° |
C | C1 | H4 | H3 | 117.7° | 120.1° |
C1 | C | H2 | H1 | 119.6° | 120.0° |
C1 | C | C10 | H21 | 54.5° | 60.0° |
C1 | C | C10 | H20 | 64.9° | 60.0° |
C | C10 | C11 | H21 | 120.3° | 120.0° |
C | C10 | C11 | H20 | 120.3° | 120.0° |
C | C10 | C11 | C12 | 173.4° | 180.0° |
C | C10 | C11 | H23 | 53.4° | 60.0° |
C | C10 | C11 | H22 | 66.5° | 60.0° |
C10 | C | C1 | H4 | 77.1° | 60.1° |
C10 | C | C1 | H3 | 41.4° | 60.0° |
C10 | C | H2 | H1 | 119.6° | 120.1° |
C | C10 | H21 | H20 | 119.1° | 120.0° |
C10 | C11 | C12 | H23 | 120.1° | 120.0° |
C10 | C11 | C12 | H22 | 120.1° | 120.0° |
C10 | C11 | C12 | C13 | 138.1° | 180.0° |
C10 | C11 | C12 | H25 | 101.5° | 60.0° |
C10 | C11 | C12 | H24 | 17.6° | 60.0° |
C10 | C11 | H23 | H22 | 119.8° | 120.0° |
C11 | C10 | C | H2 | 65.0° | 60.0° |
C11 | C10 | C | H1 | 54.7° | 60.0° |
C11 | C10 | H21 | H20 | 119.1° | 119.9° |
C11 | C12 | C13 | H25 | 120.5° | 120.1° |
C11 | C12 | C13 | H24 | 120.4° | 120.0° |
C11 | C12 | C13 | C14 | 65.7° | 180.0° |
C11 | C12 | C13 | H27 | 173.8° | 60.0° |
C11 | C12 | C13 | H26 | 54.8° | 60.1° |
C11 | C12 | H25 | H24 | 118.6° | 120.0° |
C12 | C11 | H23 | H22 | 119.7° | 119.9° |
C12 | C11 | C10 | H21 | 66.2° | 60.0° |
C12 | C11 | C10 | H20 | 53.2° | 60.0° |
C12 | C13 | C14 | H27 | 120.5° | 120.1° |
C12 | C13 | C14 | H26 | 120.5° | 120.0° |
C12 | C13 | C14 | C15 | 169.8° | 180.0° |
C12 | C13 | C14 | H29 | 69.9° | 60.0° |
C12 | C13 | C14 | H28 | 49.5° | 60.0° |
C12 | C13 | H27 | H26 | 118.3° | 120.0° |
C13 | C12 | H25 | H24 | 118.6° | 119.9° |
C13 | C12 | C11 | H23 | 18.0° | 59.9° |
C13 | C12 | C11 | H22 | 101.8° | 60.0° |
C13 | C14 | C15 | H29 | 120.3° | 119.9° |
C13 | C14 | C15 | H28 | 120.3° | 120.0° |
C13 | C14 | C15 | C16 | 163.7° | 180.0° |
C13 | C14 | H29 | H28 | 119.0° | 120.0° |
C13 | C14 | C15 | H31 | 76.4° | 60.0° |
C13 | C14 | C15 | H30 | 43.8° | 60.0° |
C14 | C13 | H27 | H26 | 118.4° | 120.0° |
C14 | C13 | C12 | H25 | 54.7° | 60.0° |
C14 | C13 | C12 | H24 | 173.9° | 60.0° |
C14 | C15 | C16 | H31 | 119.9° | 120.0° |
C14 | C15 | C16 | H30 | 119.9° | 120.0° |
C14 | C15 | C16 | C17 | 156.7° | 180.0° |
C15 | C14 | H29 | H28 | 119.0° | 120.1° |
C14 | C15 | H31 | H30 | 120.2° | 120.0° |
C14 | C15 | C16 | H33 | 82.6° | 60.0° |
C14 | C15 | C16 | H32 | 35.9° | 60.0° |
C15 | C14 | C13 | H27 | 49.2° | 60.0° |
C15 | C14 | C13 | H26 | 69.7° | 60.0° |
C15 | C16 | C17 | H33 | 120.8° | 120.0° |
C15 | C16 | C17 | H32 | 120.7° | 119.9° |
C15 | C16 | C17 | O2 | 98.9° | 0.0° |
C15 | C16 | C17 | N | 85.0° | 180.0° |
C16 | C15 | C14 | H29 | 43.4° | 60.1° |
C16 | C15 | C14 | H28 | 76.0° | 60.0° |
C16 | C15 | H31 | H30 | 120.2° | 120.0° |
C15 | C16 | H33 | H32 | 117.7° | 120.0° |
C16 | C17 | O2 | N | 175.6° | 180.0° |
C16 | C17 | N | C18 | 166.1° | 180.0° |
C17 | C16 | C15 | H31 | 36.7° | 60.0° |
C17 | C16 | C15 | H30 | 83.4° | 60.0° |
C17 | C16 | H33 | H32 | 117.7° | 120.0° |
C16 | C17 | N | H34 | 14.0° | 0.0° |
O2 | C17 | N | C18 | 9.7° | 0.0° |
O2 | C17 | C16 | H33 | 140.3° | 120.0° |
O2 | C17 | C16 | H32 | 21.8° | 119.9° |
O2 | C17 | N | H34 | 170.2° | 180.0° |
C17 | N | C18 | H34 | 180.0° | 180.0° |
C17 | N | C18 | C19 | 26.2° | 155.0° |
C17 | N | C18 | C34 | 103.0° | 84.9° |
N | C17 | C16 | H33 | 35.8° | 60.0° |
N | C17 | C16 | H32 | 154.2° | 60.1° |
C17 | N | C18 | H | 142.4° | 35.0° |
C23 | C22 | N1 | H41 | 120.3° | 120.0° |
C23 | C22 | N1 | H40 | 120.3° | 120.0° |
C22 | C23 | O4 | H42 | 120.0° | 119.9° |
C22 | C23 | O4 | H43 | 120.0° | 120.0° |
C23 | C22 | N1 | C21 | 112.3° | 180.0° |
C22 | C23 | O4 | C24 | 84.5° | 180.0° |
C22 | C23 | H42 | H43 | 119.9° | 120.0° |
C23 | C22 | H41 | H40 | 119.0° | 120.1° |
C23 | C22 | N1 | H39 | 67.6° | 0.0° |
N1 | C22 | C23 | O4 | 56.1° | 65.0° |
C22 | N1 | C21 | H39 | 180.0° | 180.0° |
C22 | N1 | C21 | C20 | 177.7° | 180.0° |
C22 | N1 | C21 | O3 | 1.6° | 0.0° |
N1 | C22 | C23 | H42 | 63.9° | 175.0° |
N1 | C22 | C23 | H43 | 176.1° | 55.0° |
N1 | C22 | H41 | H40 | 119.0° | 120.0° |
C23 | O4 | C24 | C25 | 171.9° | 180.0° |
O4 | C23 | H42 | H43 | 119.9° | 120.0° |
O4 | C23 | C22 | H41 | 64.2° | 175.0° |
O4 | C23 | C22 | H40 | 176.4° | 54.9° |
C23 | O4 | C24 | H44 | 68.1° | 59.9° |
C23 | O4 | C24 | H45 | 51.9° | 60.0° |
N1 | C21 | C20 | O3 | 179.3° | 180.0° |
N1 | C21 | C20 | C19 | 155.3° | 180.0° |
C21 | N1 | C22 | H41 | 8.0° | 60.0° |
C21 | N1 | C22 | H40 | 127.3° | 60.0° |
N1 | C21 | C20 | H38 | 34.9° | 60.0° |
N1 | C21 | C20 | H37 | 84.3° | 60.0° |
N | C18 | C19 | C20 | 80.6° | 65.0° |
N | C18 | C19 | C34 | 128.4° | 120.0° |
N | C18 | C19 | H | 116.6° | 120.0° |
N | C18 | C34 | H | 114.9° | 119.9° |
N | C18 | C34 | O11 | 89.9° | 180.0° |
N | C18 | C34 | O10 | 89.9° | 0.1° |
N | C18 | C19 | H36 | 159.6° | 55.0° |
N | C18 | C19 | H35 | 39.3° | 175.0° |
C21 | C20 | C19 | H38 | 120.4° | 120.0° |
C21 | C20 | C19 | H37 | 120.4° | 119.9° |
C21 | C20 | C19 | C18 | 159.0° | 180.0° |
C21 | C20 | C19 | H36 | 81.1° | 60.1° |
C21 | C20 | C19 | H35 | 39.1° | 60.0° |
C21 | C20 | H38 | H37 | 118.7° | 120.0° |
C20 | C21 | N1 | H39 | 2.3° | 0.0° |
O3 | C21 | C20 | C19 | 25.4° | 0.0° |
O3 | C21 | C20 | H38 | 145.7° | 120.0° |
O3 | C21 | C20 | H37 | 95.1° | 120.0° |
O3 | C21 | N1 | H39 | 178.4° | 180.0° |
C20 | C19 | C18 | H36 | 119.8° | 119.9° |
C20 | C19 | C18 | H35 | 119.9° | 120.0° |
C20 | C19 | C18 | C34 | 151.0° | 175.0° |
C20 | C19 | H36 | H35 | 120.4° | 120.0° |
C20 | C19 | C18 | H | 36.0° | 55.0° |
C19 | C20 | H38 | H37 | 118.7° | 120.0° |
O4 | C24 | C25 | H44 | 120.0° | 120.0° |
O4 | C24 | C25 | H45 | 120.0° | 120.0° |
O4 | C24 | C25 | O5 | 69.5° | 65.0° |
C24 | O4 | C23 | H42 | 155.4° | 60.1° |
C24 | O4 | C23 | H43 | 35.5° | 60.0° |
O4 | C24 | H44 | H45 | 120.0° | 120.0° |
O4 | C24 | C25 | H46 | 50.6° | 175.0° |
O4 | C24 | C25 | H47 | 170.5° | 55.1° |
C19 | C18 | C34 | H | 114.9° | 120.0° |
C19 | C18 | C34 | O11 | 139.9° | 59.9° |
C19 | C18 | C34 | O10 | 40.4° | 120.0° |
C18 | C19 | H36 | H35 | 120.4° | 120.1° |
C19 | C18 | N | H34 | 153.8° | 25.0° |
C18 | C19 | C20 | H38 | 38.6° | 60.0° |
C18 | C19 | C20 | H37 | 80.6° | 60.1° |
C18 | C34 | O11 | O10 | 179.8° | 179.9° |
C34 | C18 | C19 | H36 | 31.1° | 65.1° |
C34 | C18 | C19 | H35 | 89.1° | 55.0° |
C34 | C18 | N | H34 | 77.0° | 95.0° |
C18 | C34 | O11 | H62 | 179.8° | 180.0° |
C24 | C25 | O5 | H46 | 120.0° | 120.0° |
C24 | C25 | O5 | H47 | 120.0° | 120.0° |
C24 | C25 | O5 | C26 | 171.8° | 180.0° |
C25 | C24 | H44 | H45 | 120.0° | 120.0° |
C24 | C25 | H46 | H47 | 119.9° | 120.0° |
O11 | C34 | C18 | H | 25.0° | 60.1° |
O10 | C34 | C18 | H | 155.3° | 120.0° |
O10 | C34 | O11 | H62 | 0.0° | 0.1° |
C25 | O5 | C26 | C27 | 172.2° | 180.0° |
C25 | O5 | C26 | H48 | 67.8° | 60.0° |
C25 | O5 | C26 | H49 | 52.1° | 60.0° |
O5 | C25 | C24 | H44 | 170.6° | 175.0° |
O5 | C25 | C24 | H45 | 50.6° | 55.0° |
O5 | C25 | H46 | H47 | 119.9° | 120.0° |
O5 | C26 | C27 | H48 | 120.1° | 120.0° |
O5 | C26 | C27 | H49 | 120.0° | 120.0° |
O5 | C26 | C27 | O6 | 107.4° | 0.0° |
O5 | C26 | C27 | N2 | 72.6° | 180.0° |
O5 | C26 | H48 | H49 | 119.8° | 120.0° |
C26 | O5 | C25 | H46 | 51.8° | 60.0° |
C26 | O5 | C25 | H47 | 68.1° | 60.0° |
C26 | C27 | O6 | N2 | 179.9° | 180.0° |
C26 | C27 | N2 | C28 | 0.2° | 180.0° |
C27 | C26 | H48 | H49 | 119.8° | 120.0° |
C26 | C27 | N2 | H50 | 179.8° | 0.0° |
O6 | C27 | N2 | C28 | 179.9° | 0.0° |
O6 | C27 | C26 | H48 | 12.6° | 120.0° |
O6 | C27 | C26 | H49 | 132.5° | 120.0° |
O6 | C27 | N2 | H50 | 0.1° | 180.0° |
C27 | N2 | C28 | H50 | 180.0° | 180.0° |
C27 | N2 | C28 | C29 | 88.7° | 180.0° |
C27 | N2 | C28 | H51 | 31.6° | 60.0° |
C27 | N2 | C28 | H52 | 150.9° | 60.0° |
N2 | C27 | C26 | H48 | 167.3° | 60.0° |
N2 | C27 | C26 | H49 | 47.4° | 60.0° |
N2 | C28 | C29 | H51 | 120.3° | 120.1° |
N2 | C28 | C29 | H52 | 120.3° | 120.0° |
N2 | C28 | C29 | O7 | 35.6° | 65.0° |
N2 | C28 | H51 | H52 | 118.9° | 120.0° |
N2 | C28 | C29 | H53 | 84.3° | 175.0° |
N2 | C28 | C29 | H54 | 155.6° | 55.0° |
C28 | C29 | O7 | H53 | 120.0° | 120.0° |
C28 | C29 | O7 | H54 | 119.9° | 119.9° |
C28 | C29 | O7 | C30 | 177.2° | 180.0° |
C29 | C28 | H51 | H52 | 119.0° | 120.0° |
C28 | C29 | H53 | H54 | 120.2° | 120.0° |
C29 | C28 | N2 | H50 | 91.3° | 0.0° |
C29 | O7 | C30 | C31 | 73.1° | 180.0° |
O7 | C29 | C28 | H51 | 156.0° | 175.0° |
O7 | C29 | C28 | H52 | 84.7° | 55.1° |
O7 | C29 | H53 | H54 | 120.2° | 120.0° |
C29 | O7 | C30 | H55 | 166.7° | 60.0° |
C29 | O7 | C30 | H56 | 47.0° | 60.0° |
O7 | C30 | C31 | H55 | 120.1° | 120.0° |
O7 | C30 | C31 | H56 | 120.2° | 120.1° |
O7 | C30 | C31 | O8 | 39.4° | 65.0° |
C30 | O7 | C29 | H53 | 57.2° | 60.0° |
C30 | O7 | C29 | H54 | 62.9° | 60.1° |
O7 | C30 | H55 | H56 | 119.6° | 120.1° |
O7 | C30 | C31 | H57 | 159.6° | 175.0° |
O7 | C30 | C31 | H58 | 80.7° | 55.1° |
O9 | C33 | C32 | H61 | 180.0° | 179.9° |
O9 | C33 | C32 | O8 | 62.3° | 125.0° |
O9 | C33 | C32 | H60 | 177.7° | 115.0° |
O9 | C33 | C32 | H59 | 57.6° | 5.0° |
C33 | C32 | O8 | C31 | 121.3° | 180.0° |
C33 | C32 | O8 | H60 | 120.0° | 120.0° |
C33 | C32 | O8 | H59 | 120.0° | 120.0° |
C33 | C32 | H60 | H59 | 120.0° | 120.1° |
C30 | C31 | O8 | H57 | 120.2° | 120.0° |
C30 | C31 | O8 | H58 | 120.2° | 120.0° |
C30 | C31 | O8 | C32 | 68.8° | 180.0° |
C31 | C30 | H55 | H56 | 119.5° | 119.9° |
C30 | C31 | H57 | H58 | 119.5° | 120.0° |
O8 | C31 | C30 | H55 | 80.7° | 175.0° |
O8 | C31 | C30 | H56 | 159.6° | 55.1° |
O8 | C31 | H57 | H58 | 119.5° | 120.0° |
C31 | O8 | C32 | H60 | 118.7° | 60.0° |
C31 | O8 | C32 | H59 | 1.3° | 60.0° |
C32 | O8 | C31 | H57 | 51.4° | 60.0° |
C32 | O8 | C31 | H58 | 171.1° | 59.9° |
O8 | C32 | H60 | H59 | 120.1° | 119.9° |
O8 | C32 | C33 | H61 | 117.7° | 55.0° |
H51 | C28 | C29 | H53 | 36.0° | 54.9° |
H51 | C28 | C29 | H54 | 84.1° | 65.1° |
H51 | C28 | N2 | H50 | 148.3° | 120.0° |
H52 | C28 | C29 | H53 | 155.3° | 65.0° |
H52 | C28 | C29 | H54 | 35.2° | 175.0° |
H52 | C28 | N2 | H50 | 29.0° | 120.0° |
H55 | C30 | C31 | H57 | 39.4° | 55.0° |
H55 | C30 | C31 | H58 | 159.1° | 65.0° |
H56 | C30 | C31 | H57 | 80.3° | 65.0° |
H56 | C30 | C31 | H58 | 39.4° | 175.1° |
H42 | C23 | C22 | H41 | 175.8° | 55.1° |
H42 | C23 | C22 | H40 | 56.4° | 65.0° |
H43 | C23 | C22 | H41 | 55.8° | 65.0° |
H43 | C23 | C22 | H40 | 63.5° | 175.0° |
H41 | C22 | N1 | H39 | 172.1° | 120.0° |
H40 | C22 | N1 | H39 | 52.7° | 120.0° |
H36 | C19 | C18 | H | 83.8° | 175.0° |
H36 | C19 | C20 | H38 | 158.4° | 60.0° |
H36 | C19 | C20 | H37 | 39.3° | 180.0° |
H35 | C19 | C18 | H | 155.9° | 65.0° |
H35 | C19 | C20 | H38 | 81.3° | 180.0° |
H35 | C19 | C20 | H37 | 159.5° | 59.9° |
H29 | C14 | C15 | H31 | 163.3° | 59.9° |
H29 | C14 | C15 | H30 | 76.6° | 179.9° |
H29 | C14 | C13 | H27 | 169.6° | 179.9° |
H29 | C14 | C13 | H26 | 50.6° | 60.0° |
H28 | C14 | C15 | H31 | 43.9° | 180.0° |
H28 | C14 | C15 | H30 | 164.1° | 60.0° |
H28 | C14 | C13 | H27 | 71.1° | 60.1° |
H28 | C14 | C13 | H26 | 170.0° | 180.0° |
H31 | C15 | C16 | H33 | 157.5° | 180.0° |
H31 | C15 | C16 | H32 | 84.0° | 59.9° |
H30 | C15 | C16 | H33 | 37.3° | 60.0° |
H30 | C15 | C16 | H32 | 155.8° | 180.0° |
H27 | C13 | C12 | H25 | 65.8° | 180.0° |
H27 | C13 | C12 | H24 | 53.3° | 60.0° |
H26 | C13 | C12 | H25 | 175.3° | 60.0° |
H26 | C13 | C12 | H24 | 65.6° | 180.0° |
H25 | C12 | C11 | H23 | 138.5° | 180.0° |
H25 | C12 | C11 | H22 | 18.6° | 60.1° |
H24 | C12 | C11 | H23 | 102.4° | 60.0° |
H24 | C12 | C11 | H22 | 137.7° | 179.9° |
H23 | C11 | C10 | H21 | 173.7° | 180.0° |
H23 | C11 | C10 | H20 | 66.9° | 60.0° |
H22 | C11 | C10 | H21 | 53.8° | 60.0° |
H22 | C11 | C10 | H20 | 173.2° | 180.0° |
H14 | C6 | C5 | H12 | 174.5° | 60.0° |
H14 | C6 | C5 | H11 | 65.9° | 179.9° |
H14 | C6 | C7 | H16 | 147.4° | 180.0° |
H14 | C6 | C7 | H15 | 26.7° | 60.0° |
H13 | C6 | C5 | H12 | 56.8° | 180.0° |
H13 | C6 | C5 | H11 | 176.3° | 59.9° |
H13 | C6 | C7 | H16 | 94.8° | 60.0° |
H13 | C6 | C7 | H15 | 144.4° | 180.0° |
H12 | C5 | C4 | H10 | 177.7° | 179.9° |
H12 | C5 | C4 | H9 | 63.5° | 60.0° |
H11 | C5 | C4 | H10 | 58.2° | 59.9° |
H11 | C5 | C4 | H9 | 177.0° | 180.0° |
H10 | C4 | C3 | H8 | 152.6° | 180.0° |
H10 | C4 | C3 | H7 | 33.6° | 60.0° |
H9 | C4 | C3 | H8 | 88.6° | 60.0° |
H9 | C4 | C3 | H7 | 152.4° | 180.0° |
H6 | C2 | C1 | H4 | 154.7° | 59.9° |
H6 | C2 | C1 | H3 | 86.8° | 179.9° |
H6 | C2 | C3 | H8 | 150.2° | 60.0° |
H6 | C2 | C3 | H7 | 31.2° | 180.0° |
H5 | C2 | C1 | H4 | 35.1° | 180.0° |
H5 | C2 | C1 | H3 | 153.7° | 60.0° |
H5 | C2 | C3 | H8 | 90.3° | 179.9° |
H5 | C2 | C3 | H7 | 150.7° | 60.0° |
H4 | C1 | C | H2 | 162.7° | 180.0° |
H4 | C1 | C | H1 | 43.0° | 59.9° |
H3 | C1 | C | H2 | 78.7° | 60.0° |
H3 | C1 | C | H1 | 161.5° | 180.0° |
H18 | C8 | C7 | H16 | 158.3° | 180.0° |
H18 | C8 | C7 | H15 | 80.9° | 60.0° |
H17 | C8 | C7 | H16 | 40.1° | 60.0° |
H17 | C8 | C7 | H15 | 160.8° | 180.0° |
H34 | N | C18 | H | 37.6° | 145.0° |
H2 | C | C10 | H21 | 174.7° | 60.0° |
H2 | C | C10 | H20 | 55.3° | 180.0° |
H1 | C | C10 | H21 | 65.6° | 179.9° |
H1 | C | C10 | H20 | 175.0° | 60.0° |
H44 | C24 | C25 | H46 | 69.4° | 55.0° |
H44 | C24 | C25 | H47 | 50.5° | 65.0° |
H45 | C24 | C25 | H46 | 170.6° | 65.0° |
H45 | C24 | C25 | H47 | 69.4° | 175.1° |
H60 | C32 | C33 | H61 | 2.3° | 65.0° |
H59 | C32 | C33 | H61 | 122.3° | 175.0° |